(2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid

C11H17N3O2 — CID 172529851

IUPAC(2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
SMILESCn1nc(C[C@H](N)C(=O)O)c2c1CCCC2
InChIInChI=1S/C11H17N3O2/c1-14-10-5-3-2-4-7(10)9(13-14)6-8(12)11(15)16/h8H,2-6,12H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyOLNFNNCBCRJUIY-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.25
Rot. Bonds3

About (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid

(2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid (PubChem CID 172529851) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
PubChem CID172529851
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
SMILESCn1nc(C[C@H](N)C(=O)O)c2c1CCCC2
InChIInChI=1S/C11H17N3O2/c1-14-10-5-3-2-4-7(10)9(13-14)6-8(12)11(15)16/h8H,2-6,12H2,1H3,(H,15,16)/t8-/m0/s1
InChIKeyOLNFNNCBCRJUIY-QMMMGPOBSA-N
XLogP0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid (CID 172529851) is (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid is Cn1nc(C[C@H](N)C(=O)O)c2c1CCCC2.
What is the InChIKey of (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
The InChIKey is OLNFNNCBCRJUIY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-10-5-3-2-4-7(10)9(13-14)6-8(12)11(15)16/h8H,2-6,12H2,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid?
(2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid is sourced from PubChem (CID 172529851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).